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Sugi Predict / Compounds / SCHEMBL3898359

SCHEMBL3898359

SCHEMBL3898359

Cc1ccc(C(=O)NCc2ccc(F)cc2F)c(NS(=O)(=O)C2=CC=CN3SNC=C23)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ PDE10A Q9Y233 2/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ PKM P14618 1/20 0.34
▸ P2RX7 Q99572 2/20 0.33
▸ ELANE P08246 1/20 0.33
▸ POLB P06746 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ KCNA5 P22460 2/20 0.33
▸ KLKB1 P03952 1/20 0.33
▸ KCNK3 O14649 1/20 0.33
▸ KCNK5 O95279 1/20 0.33
▸ KCNK17 Q96T54 1/20 0.33
▸ KCNK9 Q9NPC2 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3903033 0.93 ROCK2 (0.38) KDM4EALDH1A1EPHX2KMT2APKM
SCHEMBL3901666 0.90 AKR1B1 (0.38) METKDM4EALDH1A1PDE10AMAOB
SCHEMBL3913111 0.90 CCKBR (0.36) METKDM4EALDH1A1PDE10AEPHX2
SCHEMBL3903849 0.90 AKR1B1 (0.36) METKDM4EALDH1A1PDE10AEPHX2
SCHEMBL3906339 0.90 ALDH1A1 (0.34) KDM4EALDH1A1EPHX2MEN1KMT2A
SCHEMBL3899659 0.89 KDM4E (0.45) METKDM4EALDH1A1PDE10AMAOB
SCHEMBL3899767 0.87 KMT2A (0.35) MEN1KMT2AMAPT
SCHEMBL3903734 0.86 EPHX2 (0.37) KDM4EALDH1A1EPHX2P2RX7KCNA5
SCHEMBL3899991 0.86 KCNA5 (0.40) METKDM4EALDH1A1MAOBGSK3B
SCHEMBL3900371 0.86 CCKBR (0.40) KCNA5KLKB1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7241759-B2 Benzo[1,2,5]thiadiazole compounds JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-10 — — US claimed
US-7550492-B2 Benzo[1,2,5]thiadiazole compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-06-23 — — US disclosed
US-20070276016-A1 BENZO[1,2,5]THIADIAZOLE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-29 — — US disclosed
US-7241759-B2 Benzo[1,2,5]thiadiazole compounds JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-10 — — US disclosed
EP-1675837-A2 BENZO [1,2,5] THIADIAZOLE COMPOUNDS AS CCK2 MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-05 — — EP disclosed
WO-2005012275-A2 BENZO [1, 2, 5] THIADIAZOLE COMPOUNDS AS CCK2 MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-10 — — WO disclosed
US-20040224983-A1 Benzo[1,2,5]thiadiazole compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2004-11-11 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070276016-A1 BENZO[1,2,5]THIADIAZOLE COMPOUNDS CCKBR, CCKAR, GIPR MET 2911/4885KDM4E 4124/4885ALDH1A1 3254/4885
US-20040224983-A1 Benzo[1,2,5]thiadiazole compounds CCKBR, CCKAR, BRSK2 MET 2901/4885KDM4E 3591/4885ALDH1A1 1824/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.